SCHEMBL30724136

SCHEMBL30724136

CCOC(=O)CCCOc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ MAPK9 P45984 3/20 0.38
▸ TNF P01375 2/20 0.37
▸ LITAF Q99732 1/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30723809 0.88 RXRA (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25917431 0.85 CYP4F2 (0.43) CYP4F2CYP4A11HTR4RXRARXRB
SCHEMBL25917465 0.85 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25917467 0.84 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24179482 0.81 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25918087 0.81 MAPK8 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25917394 0.81 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24179486 0.81 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25917464 0.81 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30758953 0.78 RXRA (0.39) CYP4F2CYP4A11HTR4RXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 — — WO disclosed
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